Mass spectrometry distinguishable synthetic compounds, libraries, and methods thereof
Inventors
Madrid, Peter • Collins, Nathan • Avital-Shmilovici, Michal • Bourbon, Pauline • Shaler, Thomas
Assignees
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Publication Number
US-12387822-B2
Publication Date
2025-08-12
Expiration Date
Abstract
Embodiments in accordance with the present disclosure are directed to polymer beads and uses thereof, including forming libraries of compounds for screening and assay purposes. An example method includes using logic circuitry to: select a plurality of molecules that include a plurality of subgroups, each of the plurality of molecules exhibiting a mass spectrometry characteristic that is distinguishable from mass spectrometry characteristics of other molecules of the plurality, and assign the plurality of molecules with a position in a sequence of a plurality of synthetic compounds forming a library. The method further includes defining, as data in a memory circuit of the logic circuitry, the plurality of synthetic compounds that are sequenceable via mass spectrometry using the assigned positions of the plurality of molecules for communicating to other circuitry for formation thereof via coupling chemistry or screening of a particular function.
Core Innovation
The invention provides a method using logic circuitry to assign each of a plurality of subgroups to only one position in a sequence order for a plurality of prospective molecules. Each subgroup exhibits a mass spectrometry characteristic that is distinguishable from other subgroups in the plurality, and the logic circuitry selects a plurality of molecules based on each including a unique sequence of a subset of m subgroups in the order of their assigned positions.
The method further assigns each of the plurality of molecules to only one position in a sequence order of n number of positions for a plurality of synthetic compounds forming a library. It defines and stores, as data in a memory circuit of the logic circuitry, each synthetic compound as a unique sequence of a subset of n molecules of the plurality of molecules, one from each position in the sequence, coupled together in the order of their assigned positions.
Cleavable groups are positioned between each of the n molecules such that the n molecules are separatable from one another and the synthetic compounds are sequenceable via cleavage of the cleavable groups, mass spectrometry, and the distinguishable mass spectrometry characteristics of the n molecules. The approach is extended by using mass spectrometry to generate and store a reference pattern for error control and by screening multiple synthetic compounds for a particular physical function.
Claims Coverage
The independent claim covers logic-circuit-driven assignment and storage of sequence-ordered subgroup and molecule definitions for a synthetic-compound library, with identification of formed compounds by cleavage and mass spectrometry using distinguishable, threshold-based mass spectrometry characteristics. It includes at least five main inventive features across the provided claim set.
Logic-circuit assignment of distinguishable subgroup positions
Using logic circuitry to assign each of a plurality of subgroups to only one position in a sequence order for a plurality of prospective molecules, wherein each subgroup exhibits a mass spectrometry characteristic that is distinguishable from other subgroups.
Threshold-based selection of molecules by unique ordered m-subgroup sequences
Selecting a plurality of molecules based on each including a unique sequence of a subset of m subgroups of the plurality of subgroups in the order of their assigned positions and each exhibiting a mass spectrometry characteristic that is distinguishable by a threshold value from mass spectrometry characteristics of other molecules.
Assigning n molecules to n positions to form synthetic compounds with cleavable-group separation
Assigning each of the plurality of molecules to only one position in a sequence order of n number of positions for a plurality of synthetic compounds forming a library, with cleavable groups positioned between each of the n molecules such that the n molecules are separatable from one another.
Memory-circuit storage of unique n-molecule sequences and sequenceability via cleavage and MS characteristics
Defining and storing, as data in a memory circuit of the logic circuitry, each synthetic compound as a unique sequence of a subset of n molecules coupled together in the order of their assigned positions, and enabling sequenceability via cleavage of the cleavable groups and mass spectrometry based on the distinguishable mass spectrometry characteristics of the n molecules.
Identifying formed synthetic compounds by cleavage and distinguishable MS properties that reveal identity and order
Communicating the data defining the plurality of synthetic compounds to other circuitry and forming the plurality of synthetic compounds via coupling chemistry based on the data, wherein the formed plurality of synthetic compounds are identifiable via cleavage of the cleavable groups and the distinguishable mass spectrometry characteristics of the subset of n molecules, such that the distinguishable mass spectrometry characteristics identify the n molecules and the order of the n molecules and the order of m subgroups forming each n molecule.
Ms reference-pattern error control
Performing mass spectrometry on a plurality of molecules and generating and storing, via a memory circuit, a reference pattern for error control, wherein the mass spectrometry characteristics include molecular weight, fragmentation pattern, isotope distribution, or a combination thereof.
Screening synthetic compounds for a particular physical function
Screening multiple synthetic compounds for a specified physical function and selecting a compound that shows that function.
The coverage centers on assigning distinguishable mass-spectrometry subgroups to ordered sequence positions, selecting molecules by unique ordered subsets of m subgroups with threshold-based distinguishability, building library synthetic compounds by assigning selected molecules to n positions with cleavable groups between n molecules, storing unique n-molecule sequence definitions in a memory circuit for sequenceability by cleavage and mass spectrometry, and identifying formed compounds by cleavage and distinguishable mass spectrometry characteristics that reveal both molecular identity and ordering. Dependent refinements add MS-based reference-pattern error control and optional screening for a particular physical function.
Stated Advantages
Documented Applications
Screening multiple synthetic compounds for a specified physical function and selecting a compound that shows that function.
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